2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide

C12H17FN2O — CID 115708042

IUPAC2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
SMILESCC(Cc1cccc(F)c1)NC(C)C(N)=O
InChIInChI=1S/C12H17FN2O/c1-8(15-9(2)12(14)16)6-10-4-3-5-11(13)7-10/h3-5,7-9,15H,6H2,1-2H3,(H2,14,16)
InChIKeyAONJQOADZZITIJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide

2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide (PubChem CID 115708042) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
PubChem CID115708042
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
SMILESCC(Cc1cccc(F)c1)NC(C)C(N)=O
InChIInChI=1S/C12H17FN2O/c1-8(15-9(2)12(14)16)6-10-4-3-5-11(13)7-10/h3-5,7-9,15H,6H2,1-2H3,(H2,14,16)
InChIKeyAONJQOADZZITIJ-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 115917629
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
2-bromo-3-(3-fluorophenyl)propanamide
CID 104512961
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
CID 139542071
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide?
The IUPAC name of 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide (CID 115708042) is 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide is CC(Cc1cccc(F)c1)NC(C)C(N)=O.
What is the InChIKey of 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide?
The InChIKey is AONJQOADZZITIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(15-9(2)12(14)16)6-10-4-3-5-11(13)7-10/h3-5,7-9,15H,6H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide?
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide is sourced from PubChem (CID 115708042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).